Ensure that all file open commands fail gracefully

OrderN / CONQUEST-release

Full public release of large scale and linear scaling DFT code CONQUEST

http://www.order-n.org/

MIT License

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Ensure that all file open commands fail gracefully #273

Open davidbowler opened 7 months ago

davidbowler commented 7 months ago

We should check that all open commands lead to a graceful failure with a helpful error message. At the moment, if the coordinate file is not present, the code crashes (except for PDB format).